smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccc(C#N)c2)C3)C[C@H](C)O1	ZINC000013566328	136201115	/nfs/dbraw/zinc/20/11/15/136201115.db2.gz	ZFOGUCOPHBDJAC-GASCZTMLSA-N	1	2	379.464	2.226	40	30		GEEBLO
C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccc(C#N)c2)C3)C[C@H](C)O1	ZINC000013566328	136201116	/nfs/dbraw/zinc/20/11/16/136201116.db2.gz	ZFOGUCOPHBDJAC-GASCZTMLSA-N	1	2	379.464	2.226	40	30		GEEBLO
CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc([NH+](C)C)cc1	ZINC000101299915	519861304	/nfs/dbraw/zinc/86/13/04/519861304.db2.gz	SHFXGGVWNLOSKO-WPIBOPBSSA-N	1	2	381.523	2.154	40	30		GEEBLO
CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc([NH+](C)C)cc1	ZINC000101299908	519861533	/nfs/dbraw/zinc/86/15/33/519861533.db2.gz	SHFXGGVWNLOSKO-YTRIFDNDSA-N	1	2	381.523	2.154	40	30		GEEBLO
C=CC(C)(C)[C@]12C[C@H]3C(=O)NC(=Cc4c[nH]c[nH+]4)C(=O)N3[C@@H]1Nc1ccccc12	ZINC000014687878	203776548	/nfs/dbraw/zinc/77/65/48/203776548.db2.gz	SPWSUFUPTSJWNG-PQNVOZIPSA-N	1	2	389.459	2.383	40	30	endogenous,in-man	GEEBLO
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1cc[nH+]cc1	ZINC000408534077	534784694	/nfs/dbraw/zinc/78/46/94/534784694.db2.gz	LCVVXBMEYUOMQY-CYBMUJFWSA-N	1	2	387.193	2.446	40	30		GEEBLO
C=CC(C)(C)[C@@]12C[C@H]3C(=O)NC(=Cc4c[nH]c[nH+]4)C(=O)N3[C@@H]1Nc1ccccc12	ZINC000017106642	560094382	/nfs/dbraw/zinc/09/43/82/560094382.db2.gz	SPWSUFUPTSJWNG-LIMLNZRCSA-N	1	2	389.459	2.383	40	30	biogenic,in-vitro	GEEBLO
C=CC(C)(C)[C@@]12C[C@@H]3C(=O)NC(=Cc4c[nH]c[nH+]4)C(=O)N3[C@@H]1Nc1ccccc12	ZINC000014687880	570533881	/nfs/dbraw/zinc/53/38/81/570533881.db2.gz	SPWSUFUPTSJWNG-RVQXPJMKSA-N	1	2	389.459	2.383	40	30	endogenous,in-man	GEEBLO
C=CC(C)(C)[C@]12C[C@H]3C(=O)NC(=Cc4c[nH]c[nH+]4)C(=O)N3[C@@H]1Nc1ccccc12	ZINC000017106643	203782072	/nfs/dbraw/zinc/78/20/72/203782072.db2.gz	SPWSUFUPTSJWNG-NZRRSCNDSA-N	1	2	389.459	2.383	40	30	in-vitro	GEEBLO
CCON=C(N)c1[nH+]cn(Cc2ccccc2)c1NCC(OCC)OCC	ZINC000016957933	520390423	/nfs/dbraw/zinc/39/04/23/520390423.db2.gz	AFKZGIOSHMUILX-UHFFFAOYSA-N	1	2	375.473	2.399	40	30		GEEBLO
N#Cc1cccc(C[N@@H+]2CCc3nc(N4CCOCC4)nc(NC4CC4)c3C2)c1	ZINC000096254139	136185923	/nfs/dbraw/zinc/18/59/23/136185923.db2.gz	SHBWPSOVECZACD-UHFFFAOYSA-N	1	2	390.491	2.317	40	30		GEEBLO
N#Cc1cccc(C[N@H+]2CCc3nc(N4CCOCC4)nc(NC4CC4)c3C2)c1	ZINC000096254139	136185924	/nfs/dbraw/zinc/18/59/24/136185924.db2.gz	SHBWPSOVECZACD-UHFFFAOYSA-N	1	2	390.491	2.317	40	30		GEEBLO
N#Cc1cccc(CN2CCc3[nH+]c(N4CCOCC4)nc(NC4CC4)c3C2)c1	ZINC000096254139	136185925	/nfs/dbraw/zinc/18/59/25/136185925.db2.gz	SHBWPSOVECZACD-UHFFFAOYSA-N	1	2	390.491	2.317	40	30		GEEBLO
Cc1cc(C)nc(NC(=NC(=O)NC2CCCCC2)NCCc2c[nH]c[nH+]2)n1	ZINC000014729876	570857010	/nfs/dbraw/zinc/85/70/10/570857010.db2.gz	GHLQZGKCUIZDIG-UHFFFAOYSA-N	1	2	384.488	2.459	40	30		GEEBLO
Cc1cc(C)nc(N=C(NCCc2c[nH]c[nH+]2)NC(=O)NC2CCCCC2)n1	ZINC000014729876	570857013	/nfs/dbraw/zinc/85/70/13/570857013.db2.gz	GHLQZGKCUIZDIG-UHFFFAOYSA-N	1	2	384.488	2.459	40	30		GEEBLO
C=CC(C)(C)[C@@]12C[C@@H]3C(=O)NC(=Cc4c[nH]c[nH+]4)C(=O)N3[C@@H]1Nc1ccccc12	ZINC000100006389	570676363	/nfs/dbraw/zinc/67/63/63/570676363.db2.gz	SPWSUFUPTSJWNG-OPJSICFASA-N	1	2	389.459	2.383	40	30	in-vitro	GEEBLO
C#CCOc1ccc([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)c2ccccc2NC3=O)cc1	ZINC000408576631	570343094	/nfs/dbraw/zinc/34/30/94/570343094.db2.gz	XXAKOFFIZOZCRD-WXOSOQMESA-N	1	2	377.400	2.267	40	30		GEEBLO
C#CCOc1ccc([C@@H]2[C@H](C)[NH2+][C@@]3(c4ccccc4NC3=O)[C@H]2[N+](=O)[O-])cc1	ZINC000408576631	570343097	/nfs/dbraw/zinc/34/30/97/570343097.db2.gz	XXAKOFFIZOZCRD-WXOSOQMESA-N	1	2	377.400	2.267	40	30		GEEBLO
CCOc1ccc(C(=O)C=CNc2ccc(S(=O)(=O)NC(N)=[NH2+])cc2)cc1	ZINC000004957214	570647027	/nfs/dbraw/zinc/64/70/27/570647027.db2.gz	VWBIYKYJCUCGTO-QXMHVHEDSA-N	1	2	388.449	2.066	40	30		GEEBLO
C[NH+](C)c1ccc(N2/C(=N\C(=O)C(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000101299898	522218057	/nfs/dbraw/zinc/21/80/57/522218057.db2.gz	ANAUNPNCZCKBAK-IUTYPILCSA-N	1	2	395.550	2.400	40	30		GEEBLO
C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccc(C#N)c2)C3)C[C@H](C)O1	ZINC000036058404	204304044	/nfs/dbraw/zinc/30/40/44/204304044.db2.gz	ZFOGUCOPHBDJAC-GJZGRUSLSA-N	1	2	379.464	2.226	40	30		GEEBLO
C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccc(C#N)c2)C3)C[C@H](C)O1	ZINC000036058404	204304048	/nfs/dbraw/zinc/30/40/48/204304048.db2.gz	ZFOGUCOPHBDJAC-GJZGRUSLSA-N	1	2	379.464	2.226	40	30		GEEBLO
Cc1nc(Nc2ncc(C#N)s2)ccc1C[C@@H]1COCC[N@@H+](C2COC2)C1	ZINC000257317119	206177827	/nfs/dbraw/zinc/17/78/27/206177827.db2.gz	VIMIIFXCBKWUOV-AWEZNQCLSA-N	1	2	385.493	2.352	40	30		GEEBLO
Cc1nc(Nc2ncc(C#N)s2)ccc1C[C@@H]1COCC[N@H+](C2COC2)C1	ZINC000257317119	206177832	/nfs/dbraw/zinc/17/78/32/206177832.db2.gz	VIMIIFXCBKWUOV-AWEZNQCLSA-N	1	2	385.493	2.352	40	30		GEEBLO
N#Cc1ccccc1/C=C/C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1	ZINC000035183280	570246755	/nfs/dbraw/zinc/24/67/55/570246755.db2.gz	UPIUYSPKQSDFFS-RQWLHQTBSA-N	1	2	391.471	2.156	40	30		GEEBLO
C#CCOc1ccc([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)c2ccccc2NC3=O)cc1	ZINC000408576629	570342965	/nfs/dbraw/zinc/34/29/65/570342965.db2.gz	XXAKOFFIZOZCRD-OFJUQXPPSA-N	1	2	377.400	2.267	40	30		GEEBLO
C#CCOc1ccc([C@@H]2[C@H](C)[NH2+][C@]3(c4ccccc4NC3=O)[C@H]2[N+](=O)[O-])cc1	ZINC000408576629	570342968	/nfs/dbraw/zinc/34/29/68/570342968.db2.gz	XXAKOFFIZOZCRD-OFJUQXPPSA-N	1	2	377.400	2.267	40	30		GEEBLO
Cc1nc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cccn2)sc1C(=O)N(C)C	ZINC000019656802	571023908	/nfs/dbraw/zinc/02/39/08/571023908.db2.gz	HIFSMMSCPVPVEX-CYBMUJFWSA-N	1	2	376.486	2.102	40	30		GEEBLO
Cc1nc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cccn2)sc1C(=O)N(C)C	ZINC000019656802	571023911	/nfs/dbraw/zinc/02/39/11/571023911.db2.gz	HIFSMMSCPVPVEX-CYBMUJFWSA-N	1	2	376.486	2.102	40	30		GEEBLO
COc1cccc(N2CCN(C3=[NH+]C4(CCC(C)CC4)C(C#N)C(=O)N3)CC2)c1	ZINC000020636683	526152135	/nfs/dbraw/zinc/15/21/35/526152135.db2.gz	CINZWFKFGXDWTO-COFLGROHSA-N	1	2	395.507	2.392	40	30		GEEBLO
CNc1ccccc1C(=O)N=C(NCCc1c[nH]c[nH+]1)Nc1nc(C)cc(C)n1	ZINC000007499237	570760008	/nfs/dbraw/zinc/76/00/08/570760008.db2.gz	XNBXWCOLGINAOV-UHFFFAOYSA-N	1	2	392.467	2.299	40	30		GEEBLO
CNc1ccccc1C(=O)N=C(NCCc1c[nH+]c[nH]1)Nc1nc(C)cc(C)n1	ZINC000007499237	570760010	/nfs/dbraw/zinc/76/00/10/570760010.db2.gz	XNBXWCOLGINAOV-UHFFFAOYSA-N	1	2	392.467	2.299	40	30		GEEBLO
CN(C)c1ccc(C=[NH+]Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N(C)C)cc1	ZINC000004892792	570644483	/nfs/dbraw/zinc/64/44/83/570644483.db2.gz	UQHOKFJLPMBFDC-LDADJPATSA-N	1	2	391.453	2.357	40	30		GEEBLO
COc1ccccc1N1CCN(C2=[NH+]C3(CCC(C)CC3)C(C#N)C(=O)N2)CC1	ZINC000020636705	524554119	/nfs/dbraw/zinc/55/41/19/524554119.db2.gz	BVUJWWZYRDHSPF-JQHMZKTJSA-N	1	2	395.507	2.392	40	30		GEEBLO
N#Cc1cccc(C(=O)N2Cc3c[nH+]cn3[C@@H](C(=O)NCc3cccs3)C2)c1	ZINC000585096148	570922791	/nfs/dbraw/zinc/92/27/91/570922791.db2.gz	VJWNWPOZQHUFLP-GOSISDBHSA-N	1	2	391.456	2.330	40	30		GEEBLO
CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc([NH+](C)C)cc1	ZINC000101300122	521898783	/nfs/dbraw/zinc/89/87/83/521898783.db2.gz	PGUYIOUTQNSYBR-YUNHNCGZSA-N	1	2	395.550	2.400	40	30		GEEBLO
O=[N+]([O-])c1cc(/C=[NH+]/NC(=S)NCc2ccccc2)ccc1N1CCOCC1	ZINC000006392825	527324950	/nfs/dbraw/zinc/32/49/50/527324950.db2.gz	COFKOEQRYQCFGF-KGENOOAVSA-N	1	2	399.476	2.430	40	30		GEEBLO
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1cc[nH+]cc1	ZINC000408534078	534784778	/nfs/dbraw/zinc/78/47/78/534784778.db2.gz	LCVVXBMEYUOMQY-ZDUSSCGKSA-N	1	2	387.193	2.446	40	30		GEEBLO
CC[C@@H](C)C(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc([NH+](C)C)cc1	ZINC000105350174	570734073	/nfs/dbraw/zinc/73/40/73/570734073.db2.gz	PGUYIOUTQNSYBR-OZBYBUAOSA-N	1	2	395.550	2.400	40	30		GEEBLO
CCCCOc1ccc(/C=N/NC(=S)NCC[NH+]2CCOCC2)cc1OC	ZINC000023741376	528657726	/nfs/dbraw/zinc/65/77/26/528657726.db2.gz	BCYIBFNRRBQPLU-RCCKNPSSSA-N	1	2	394.541	2.004	40	30		GEEBLO
C#CCOc1ccc([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)c2ccccc2NC3=O)cc1	ZINC000408576624	570343075	/nfs/dbraw/zinc/34/30/75/570343075.db2.gz	XXAKOFFIZOZCRD-KZCJGOGDSA-N	1	2	377.400	2.267	40	30		GEEBLO
C#CCOc1ccc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)c2ccccc2NC3=O)cc1	ZINC000408576624	570343077	/nfs/dbraw/zinc/34/30/77/570343077.db2.gz	XXAKOFFIZOZCRD-KZCJGOGDSA-N	1	2	377.400	2.267	40	30		GEEBLO
COc1ccccc1C(=O)N=C(NCCc1c[nH]c[nH+]1)Nc1nc(C)cc(C)n1	ZINC000014730375	570897137	/nfs/dbraw/zinc/89/71/37/570897137.db2.gz	UIDPFAUMJZNPFA-UHFFFAOYSA-N	1	2	393.451	2.266	40	30		GEEBLO
COc1ccccc1C(=O)N=C(NCCc1c[nH+]c[nH]1)Nc1nc(C)cc(C)n1	ZINC000014730375	570897138	/nfs/dbraw/zinc/89/71/38/570897138.db2.gz	UIDPFAUMJZNPFA-UHFFFAOYSA-N	1	2	393.451	2.266	40	30		GEEBLO
C=CC(C)(C)[C@@]12C[C@H]3C(=O)NC(=Cc4c[nH]c[nH+]4)C(=O)N3[C@@H]1Nc1ccccc12	ZINC000014687876	209166591	/nfs/dbraw/zinc/16/65/91/209166591.db2.gz	SPWSUFUPTSJWNG-JJUKSXGLSA-N	1	2	389.459	2.383	40	30	endogenous,in-man	GEEBLO
Cc1nc(Nc2ncc(C#N)s2)ccc1C[C@H]1COCC[N@@H+](C2COC2)C1	ZINC000257317120	212023829	/nfs/dbraw/zinc/02/38/29/212023829.db2.gz	VIMIIFXCBKWUOV-CQSZACIVSA-N	1	2	385.493	2.352	40	30		GEEBLO
Cc1nc(Nc2ncc(C#N)s2)ccc1C[C@H]1COCC[N@H+](C2COC2)C1	ZINC000257317120	212023831	/nfs/dbraw/zinc/02/38/31/212023831.db2.gz	VIMIIFXCBKWUOV-CQSZACIVSA-N	1	2	385.493	2.352	40	30		GEEBLO
CC[C@@H](C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc([NH+](C)C)cc1	ZINC000005321411	211565985	/nfs/dbraw/zinc/56/59/85/211565985.db2.gz	PGUYIOUTQNSYBR-LNTIOHFZSA-N	1	2	395.550	2.400	40	30		GEEBLO
CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc([NH+](C)C)cc1	ZINC000101299912	519861479	/nfs/dbraw/zinc/86/14/79/519861479.db2.gz	SHFXGGVWNLOSKO-UICBKRPASA-N	1	2	381.523	2.154	40	30		GEEBLO
COc1cccc(N2CCN(C3=[NH+]C4(CCC(C)CC4)C(C#N)C(=O)N3)CC2)c1	ZINC000020636686	526151787	/nfs/dbraw/zinc/15/17/87/526151787.db2.gz	CINZWFKFGXDWTO-UEUGHCDMSA-N	1	2	395.507	2.392	40	30		GEEBLO
COc1ccc(N2CCN(C3=[NH+]C4(CCC(C)CC4)C(C#N)C(=O)N3)CC2)cc1	ZINC000020636690	524424471	/nfs/dbraw/zinc/42/44/71/524424471.db2.gz	MOBCRDUTRNXELW-UEUGHCDMSA-N	1	2	395.507	2.392	40	30		GEEBLO
C[NH+](C)c1ccc(N2/C(=N\C(=O)C(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000101299893	522217342	/nfs/dbraw/zinc/21/73/42/522217342.db2.gz	ANAUNPNCZCKBAK-SYWZAZHRSA-N	1	2	395.550	2.400	40	30		GEEBLO
C=CCN1C(=O)/C(=C/c2cccn2-c2ccc([NH+](C)C)cc2)C(=O)NC1=S	ZINC000408901249	526389609	/nfs/dbraw/zinc/38/96/09/526389609.db2.gz	COICQCPOTSBAQJ-GHRIWEEISA-N	1	2	380.473	2.356	40	30		GEEBLO
C=CC(C)(C)[C@]12C[C@H]3C(=O)NC(=Cc4c[nH]c[nH+]4)C(=O)N3[C@H]1Nc1ccccc12	ZINC000105368662	570426571	/nfs/dbraw/zinc/42/65/71/570426571.db2.gz	SPWSUFUPTSJWNG-OPBYXSDOSA-N	1	2	389.459	2.383	40	30	endogenous,in-man	GEEBLO
NC(=S)N/[NH+]=C/c1ccc(N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000059488542	570658704	/nfs/dbraw/zinc/65/87/04/570658704.db2.gz	IIFKBGWUZLKZMV-DEDYPNTBSA-N	1	2	384.465	2.089	40	30		GEEBLO
CC[C@@H](C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc([NH+](C)C)cc1	ZINC000005321414	570661606	/nfs/dbraw/zinc/66/16/06/570661606.db2.gz	PGUYIOUTQNSYBR-RJSQWWEESA-N	1	2	395.550	2.400	40	30		GEEBLO
Cn1cc[nH+]c1Cn1c(C#N)cc(N)c1N1CCN(c2ccc(F)cc2)CC1	ZINC000225870861	231036124	/nfs/dbraw/zinc/03/61/24/231036124.db2.gz	SRBMJEKCTKHRPY-UHFFFAOYSA-N	1	2	379.443	2.189	40	30		GEEBLO
CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc([NH+](C)C)cc1	ZINC000101300118	521898727	/nfs/dbraw/zinc/89/87/27/521898727.db2.gz	PGUYIOUTQNSYBR-VIOBMPLLSA-N	1	2	395.550	2.400	40	30		GEEBLO
C#CCOc1ccc([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)c2ccccc2NC3=O)cc1	ZINC000408576635	570342918	/nfs/dbraw/zinc/34/29/18/570342918.db2.gz	XXAKOFFIZOZCRD-YYKCRFIFSA-N	1	2	377.400	2.267	40	30		GEEBLO
C#CCOc1ccc([C@H]2[C@@H]([N+](=O)[O-])[C@]3([NH2+][C@H]2C)c2ccccc2NC3=O)cc1	ZINC000408576635	570342921	/nfs/dbraw/zinc/34/29/21/570342921.db2.gz	XXAKOFFIZOZCRD-YYKCRFIFSA-N	1	2	377.400	2.267	40	30		GEEBLO
CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc([NH+](C)C)cc1	ZINC000101299909	519861512	/nfs/dbraw/zinc/86/15/12/519861512.db2.gz	SHFXGGVWNLOSKO-NHYXNVPJSA-N	1	2	381.523	2.154	40	30		GEEBLO
C=CC(C)(C)[C@]12C[C@@H]3C(=O)NC(=Cc4c[nH]c[nH+]4)C(=O)N3[C@H]1Nc1ccccc12	ZINC000238744777	570522427	/nfs/dbraw/zinc/52/24/27/570522427.db2.gz	SPWSUFUPTSJWNG-TUPJAARHSA-N	1	2	389.459	2.383	40	30	endogenous,in-man	GEEBLO
C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(C#N)cc2)C3)C[C@@H](C)O1	ZINC000013566329	136201075	/nfs/dbraw/zinc/20/10/75/136201075.db2.gz	FKIBYMYFFFELHN-HUUCEWRRSA-N	1	2	379.464	2.226	40	30		GEEBLO
C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(C#N)cc2)C3)C[C@@H](C)O1	ZINC000013566329	136201076	/nfs/dbraw/zinc/20/10/76/136201076.db2.gz	FKIBYMYFFFELHN-HUUCEWRRSA-N	1	2	379.464	2.226	40	30		GEEBLO
Cc1nc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cccn2)sc1C(=O)N(C)C	ZINC000019656804	571023882	/nfs/dbraw/zinc/02/38/82/571023882.db2.gz	HIFSMMSCPVPVEX-ZDUSSCGKSA-N	1	2	376.486	2.102	40	30		GEEBLO
Cc1nc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cccn2)sc1C(=O)N(C)C	ZINC000019656804	571023884	/nfs/dbraw/zinc/02/38/84/571023884.db2.gz	HIFSMMSCPVPVEX-ZDUSSCGKSA-N	1	2	376.486	2.102	40	30		GEEBLO
C[NH+](C)c1ccc(N2/C(=N\C(=O)C(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000101299903	522217328	/nfs/dbraw/zinc/21/73/28/522217328.db2.gz	ANAUNPNCZCKBAK-YKHTYXQRSA-N	1	2	395.550	2.400	40	30		GEEBLO
Cc1cc(C)nc(N=C(NCCc2c[nH]c[nH+]2)NC(=O)COc2ccccc2)n1	ZINC000014730379	570896974	/nfs/dbraw/zinc/89/69/74/570896974.db2.gz	MZLLOKPUXKCLOQ-UHFFFAOYSA-N	1	2	393.451	2.022	40	30		GEEBLO
Cc1cc(C)nc(N=C(NCCc2c[nH+]c[nH]2)NC(=O)COc2ccccc2)n1	ZINC000014730379	570896978	/nfs/dbraw/zinc/89/69/78/570896978.db2.gz	MZLLOKPUXKCLOQ-UHFFFAOYSA-N	1	2	393.451	2.022	40	30		GEEBLO
C[NH+](C)c1ccc(N2/C(=N\C(=O)C(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000101299905	522216872	/nfs/dbraw/zinc/21/68/72/522216872.db2.gz	ANAUNPNCZCKBAK-DXNFXHBHSA-N	1	2	395.550	2.400	40	30		GEEBLO
COc1ccccc1N1CCN(C2=[NH+]C3(CCC(C)CC3)C(C#N)C(=O)N2)CC1	ZINC000020636703	524553552	/nfs/dbraw/zinc/55/35/52/524553552.db2.gz	BVUJWWZYRDHSPF-PSCUFVCCSA-N	1	2	395.507	2.392	40	30		GEEBLO
Cc1cc(C)nc(N=C(NCCc2c[nH]c[nH+]2)NC(=O)C=Cc2ccco2)n1	ZINC000014729867	570856960	/nfs/dbraw/zinc/85/69/60/570856960.db2.gz	WBAWFKQBUSTUPG-AATRIKPKSA-N	1	2	379.424	2.250	40	30		GEEBLO
Cc1cc(C)nc(N=C(NCCc2c[nH+]c[nH]2)NC(=O)C=Cc2ccco2)n1	ZINC000014729867	570856961	/nfs/dbraw/zinc/85/69/61/570856961.db2.gz	WBAWFKQBUSTUPG-AATRIKPKSA-N	1	2	379.424	2.250	40	30		GEEBLO
C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccc(C#N)c2)C3)C[C@@H](C)O1	ZINC000013566327	136201193	/nfs/dbraw/zinc/20/11/93/136201193.db2.gz	ZFOGUCOPHBDJAC-HUUCEWRRSA-N	1	2	379.464	2.226	40	30		GEEBLO
C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccc(C#N)c2)C3)C[C@@H](C)O1	ZINC000013566327	136201194	/nfs/dbraw/zinc/20/11/94/136201194.db2.gz	ZFOGUCOPHBDJAC-HUUCEWRRSA-N	1	2	379.464	2.226	40	30		GEEBLO
CC(=[NH+]Nc1nnc(SCC(=O)NCc2ccco2)[nH]1)c1ccc(N)cc1	ZINC000007504230	570506241	/nfs/dbraw/zinc/50/62/41/570506241.db2.gz	RALDNMZQZAQAIL-SRZZPIQSSA-N	1	2	385.453	2.225	40	30		GEEBLO
N#Cc1ccc(CNC(=O)[C@@H]2Cc3[nH]c[nH+]c3CN2C(=O)C2CCCCC2)cc1	ZINC000015676174	221339219	/nfs/dbraw/zinc/33/92/19/221339219.db2.gz	YQWXUOUDLYWQAX-FQEVSTJZSA-N	1	2	391.475	2.431	40	30	biogenic,in-vitro	GEEBLO
N#Cc1ccc(CNC(=O)[C@@H]2Cc3[nH+]c[nH]c3CN2C(=O)C2CCCCC2)cc1	ZINC000015676174	221339220	/nfs/dbraw/zinc/33/92/20/221339220.db2.gz	YQWXUOUDLYWQAX-FQEVSTJZSA-N	1	2	391.475	2.431	40	30	biogenic,in-vitro	GEEBLO
C=CC(C)(C)[C@]12C[C@@H]3C(=O)NC(=Cc4c[nH]c[nH+]4)C(=O)N3[C@@H]1Nc1ccccc12	ZINC000100006391	570973585	/nfs/dbraw/zinc/97/35/85/570973585.db2.gz	SPWSUFUPTSJWNG-ODZIMVISSA-N	1	2	389.459	2.383	40	30	in-vitro	GEEBLO
C=CC(C)(C)[C@]12C[C@@H]3C(=O)NC(=Cc4c[nH]c[nH+]4)C(=O)N3[C@@H]1Nc1ccccc12	ZINC000014687882	212098815	/nfs/dbraw/zinc/09/88/15/212098815.db2.gz	SPWSUFUPTSJWNG-RCZBBBTKSA-N	1	2	389.459	2.383	40	30	endogenous,in-man	GEEBLO
COc1ccc(N2CCN(C3=[NH+]C4(CCC(C)CC4)C(C#N)C(=O)N3)CC2)cc1	ZINC000020636687	524423865	/nfs/dbraw/zinc/42/38/65/524423865.db2.gz	MOBCRDUTRNXELW-COFLGROHSA-N	1	2	395.507	2.392	40	30		GEEBLO
N#Cc1cccc(C(=O)N2Cc3c[nH+]cn3[C@H](C(=O)NCc3cccs3)C2)c1	ZINC000585096149	570710873	/nfs/dbraw/zinc/71/08/73/570710873.db2.gz	VJWNWPOZQHUFLP-SFHVURJKSA-N	1	2	391.456	2.330	40	30		GEEBLO
N#Cc1ccccc1/C=C/C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1	ZINC000035183281	570246797	/nfs/dbraw/zinc/24/67/97/570246797.db2.gz	UPIUYSPKQSDFFS-ZJVMWOEPSA-N	1	2	391.471	2.156	40	30		GEEBLO